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Chemical ID: 5746945
Chemical ID:
5746945
Name [?]:
N-(5-chloro-2-cyano-phenyl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)SCC(=O)Nc3cc(ccc3C#N)Cl
InChi [?]:
InChI=1/C18H12ClN3OS2/c19-14-7-6-13(9-20)15(8-14)21-17(23)11-25-18-22-16(10-24-18)12-4-2-1-3-5-12/h1-8,10H,11H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,20,18,23,8,13,4,22,19,17,7,14,10,25,24,16,11,15,9,12/E:(2,3)(4,5)/rA:25nCCCCCCCCSCNSCCONCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;t23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12ClN3OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0308 |
Area: | 609.75 |
Solvation: | -3.21293 |
Coulombic: | -31.5472 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 385.892 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.48 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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